SCHEMBL7843533

SCHEMBL7843533

CCC1Oc2ccc(C(CC(=O)O)NC(=O)CNC(=O)c3cccc(NC4=NCCCCC4)c3)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.45
ITGAV P06756 19/20 0.45
ITGB6 P18564 14/20 0.45
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB8 P26012 1/20 0.44
ITGA8 P53708 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6776927 0.88 ITGB3 (0.47) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7843541 0.85 MEN1 (0.40) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6776905 0.85 ITGB3 (0.53) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6782859 0.82 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777241 0.81 ITGB3 (0.58) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7843535 0.81 RAB9A (0.42) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL30625724 0.81 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778166 0.81 ITGB3 (0.51) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823055 0.80 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6777144 0.79 ITGB3 (0.59) ITGB3ITGAVITGB6ITGB1ITGA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP claimed